Molecule

ID:51574

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₂
Molecular Mass
224.2315232
Exact Mass
224.09610589
Charge
0
InChI
InChI=1S/C11H13FN2O2/c1-11(2,3)10(16)14-9-7(6-15)4-8(12)5-13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKey
DCHHGGYJXRRFGW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cnc1NC(=O)C(C)(C)C
Isomeric Smiles
c1(cnc(c(c1)C=O)NC(=O)C(C)(C)C)F
Calculated Properties
JChem
Acid pKa
11.632578
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8924782
LogD (pH = 7.4)
2.8924577
Log P
2.892482
Molar Refractivity
59.5804
Polarizability
21.475075
Polar Surface Area
59.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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